Compound Detail
CHEMBL285440
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL285440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQILUXNQRKEYJI-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
4.41
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.51
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.51 | 7.51 | 31.2 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.39 | 7.39 | 40.7 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.18 | 7.18 | 65.6 | 1 |
| Pancreatic alpha-amylase CHEMBL2699 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.59 | 6.59 | 258.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 31.2 | nM | 7.51 | Antimuscarinic potency and subset specificity was characterised by its inhibitio... | 1560441 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 40.7 | nM | 7.39 | Antimuscarinic potency and subset specificity was characterised by its inhibitio... | 1560441 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 65.6 | nM | 7.18 | Antimuscarinic potency and subset specificity was characterised by its inhibitio... | 1560441 |
| Pancreatic alpha-amylase | IC50 | = | 190.0 | nM | 6.72 | Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells. | 1560441 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 258.0 | nM | 6.59 | Antimuscarinic potency and subset specificity was characterised by its inhibitio... | 1560441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1560441 | 10.1021/jm00085a017 | Unchecked | 3 |
| 1560441 | 10.1021/jm00085a017 | Cavia porcellus | 1 |
| 1560441 | 10.1021/jm00085a017 | Pancreatic alpha-amylase | 1 |
| 1560441 | 10.1021/jm00085a017 | Muscarinic acetylcholine receptor M1 | 1 |
| 1560441 | 10.1021/jm00085a017 | Muscarinic acetylcholine receptor M2 | 1 |
| 1560441 | 10.1021/jm00085a017 | Muscarinic acetylcholine receptor M3 | 1 |
| 1560441 | 10.1021/jm00085a017 | Muscarinic acetylcholine receptor M4 | 1 |
| 1560441 | 10.1021/jm00085a017 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
| 1560441 | 10.1021/jm00085a017 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
| 1560441 | 10.1021/jm00085a017 | Muscarinic acetylcholine receptor M2 and M4 | 1 |
| 1560441 | 10.1021/jm00085a017 | Muscarinic acetylcholine receptor M1 and M3 | 1 |
Data from ChEMBL 36 via Core Engine